3-[[2-(dimethylamino)-6-methylsulfanyl-purin-9-yl]-iodanyl-methoxy]propyl 2,2-dimethylpropanoate

Systemtic Name: 3-[[2-(dimethylamino)-6-methylsulfanyl-purin-9-yl]-iodanyl-methoxy]propyl 2,2-dimethylpropanoate Openeye Name: 3-[[2-(dimethylamino)-6-methylsulfanyl-purin-9-yl]-iodo-methoxy]propyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[[2-(dimethylamino)-6-(methylthio)-9-purinyl]-iodomethoxy]propyl ester IUPAC Name: 3-[[2-(dimethylamino)-6-methylsulfanylpurin-9-yl]-iodomethoxy]propyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[[2-(dimethylamino)-6-(methylthio)purin-9-yl]-iodo-methoxy]propyl ester Formula: C17H26IN5O3S MolecularWeight: 507.38951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCOC(N1C=NC2=C1N=C(N=C2SC)N(C)C)I

Isomeric SMILES

CC(C)(C)C(=O)OCCCOC(N1C=NC2=C1N=C(N=C2SC)N(C)C)I

InChI

InChI=1S/C17H26IN5O3S/c1-17(2,3)14(24)25-8-7-9-26-15(18)23-10-19-11-12(23)20-16(22(4)5)21-13(11)27-6/h10,15H,7-9H2,1-6H3